MolNFT v1 · #66489 · protein
Crystal structure of scar with bound ZN2+
3HRU · Metalloregulator scar: “Crystal structure of scar with bound ZN2+”. X-ray diffraction, 2 ligands (ZN, SO4), 3 pockets (best druggability 0.68). MolNFT v1 #66489 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3HRU
- Type
- protein
- Length
- 412 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Metalloregulator scar
- UniProt
- Q9RFN3
- Ligands
- ZN, SO4
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Metalloregulator scar | protein | 211 | 43% helix, 18% strand | Q9RFN3 |
| B | Metalloregulator scar | protein | 201 | 40% helix, 18% strand | Q9RFN3 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 520 | 0.68 | 0.78 | 51 | SO4 |
| 2 | 483 | 0.65 | 0.77 | 51 | SO4 |
| 3 | 67 | 0.37 | 0.78 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 773 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3HRU · Crystal Structure of ScaR with bound Zn2+ · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9RFN3
- Elsewhere: RCSB PDB 3HRU · PDBe 3HRU · UniProt Q9RFN3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.